3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine

C8H13F2N — CID 155036779

IUPAC3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChIKeyFTNMSGHANMZFJU-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds1

About 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine

3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine (PubChem CID 155036779) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine
PubChem CID155036779
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChIKeyFTNMSGHANMZFJU-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine
CID 122595760
1-(2,4-Dimethylpent-2-en-3-yl)-3,3-difluoroazetidine
CID 163708037
3-Fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine
CID 166972880
1-Tert-butyl-3-(difluoromethylidene)azetidine
CID 167168791
1-[(2R)-butan-2-yl]-3-(difluoromethylidene)azetidine
CID 174031054
1-Buta-2,3-dien-2-yl-3,3-difluoroazetidine
CID 174137280
1-(3-Methylbut-2-en-2-yl)azetidine
CID 155036778

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine (CID 155036779) is 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine is CC(C)=C(C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine?
The InChIKey is FTNMSGHANMZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine?
3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methylbut-2-en-2-yl)azetidine is sourced from PubChem (CID 155036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).